SCHEMBL8750818

SCHEMBL8750818

N#CN/C(=N\CCc1ccccc1Cl)c1cncc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
ALDH1A1 P00352 1/20 0.37
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
HRH2 P25021 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8750821 1.00 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5044063 0.88 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8521392 0.88 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750833 0.88 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750836 0.88 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750773 0.87 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750752 0.87 FAAH (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750758 0.87 FAAH (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750771 0.87 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8750776 0.86 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP claimed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US claimed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 EP claimed
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP disclosed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US disclosed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 EP disclosed